A basic molecule viewer written in Python, using curses; Thus, meant for linux terminals

Overview

asciiMOL

PyPI version

Screenshots

A basic molecule viewer written in Python, using curses; Thus, meant for linux terminals.

This is an alpha version, featuring:

  • Opening default cartesian .xyz files
  • Displaying one-letter atom labels
  • Orthographic view
  • Zoom, Rotation
  • Simple Colors for common light atoms
  • Basic bond detection and display

On the horizon:

  • Perspective / Orthographic view toggle
  • More formats
  • Custom Colors

Installation

pip install asciimol
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Comments
  • Added pypi on release workflow

    Added pypi on release workflow

    This PR adds a Github Action that will post your package to pypi whenever you do a Github Release (or you manually trigger in the actions panel). You'll need to add make a pypi account and add your token to your repo secrets as PYPI_API_TOKEN

    I also modified README with pip install instructions and a badge. Great project!

    opened by whitead 3
  • rdkit-pypi dependency

    rdkit-pypi dependency

    asciiMol is a really cool project, but the dependency on rdkit-pypi is quite limiting imho. There are other and arguably better ways to install RDKit, including the conda package manager. In the spirit of a terminal program, I think it would make more sense to have xyz generation from smiles as a separate first step, for example

    gen_xyz_from_smiles "CCCC" > butane.xyz
    asciimol butane.xyz
    

    Anyway, if you want to keep it, I think the best thing is to make rdkit-pypi an optional dependency. It is anyway imported only within the function read_smiles.

    opened by kjelljorner 2
  • Possible new feature: the autorotation tool

    Possible new feature: the autorotation tool

    Hello!

    This is a very cool project! Although I'm missing one feature that would be useful: the autorotation tool that would allow for the continuous rotation of a molecule. Is it possible to add it in the future?

    enhancement 
    opened by Zonkil9 2
  • Character Buffer less silly

    Character Buffer less silly

    Character buffer was a cols x lines sized array containing strings, it is now a sparse list of tuples containing only the actual content. Should be a little more perfomant and a lot less silly.

    opened by dewberryants 0
Releases(1.1)
Owner
Dominik Behrens
Dominik Behrens
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